#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzb s PRO 19 N 0.00 3.07 0.37 5.31 0.02 -1.26 -5.16 135.00 137.35 3gzb s PRO 19 Ca 0.00 -0.46 0.07 0.00 0.02 0.00 0.00 61.00 60.63 3gzb s PRO 19 Cb 0.00 -2.87 0.79 0.00 0.02 0.00 0.00 34.50 32.45 3gzb s PRO 19 CO 0.00 0.66 1.95 1.96 -0.33 0.00 0.00 177.00 181.24 3gzb h GLN 20 N 4.24 0.68 -0.65 5.54 1.08 -1.99 -1.69 115.11 122.32 3gzb h GLN 20 Ca -0.50 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 56.61 3gzb h GLN 20 Cb 1.19 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 3gzb h GLN 20 CO 0.61 0.45 0.19 0.93 -0.95 0.00 0.00 178.83 180.06 3gzb h GLU 21 N 0.70 1.02 -0.54 1.46 3.07 -1.99 -1.16 114.58 117.13 3gzb h GLU 21 Ca 0.33 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3gzb h GLU 21 Cb 0.37 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3gzb h GLU 21 CO -0.11 0.90 0.17 1.96 -1.40 0.00 0.00 179.01 180.52 3gzb h GLN 22 N 0.95 0.84 -0.75 2.33 4.20 -1.73 -1.75 115.11 119.20 3gzb h GLN 22 Ca 0.21 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3gzb h GLN 22 Cb 0.32 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3gzb h GLN 22 CO -0.00 0.77 0.49 1.96 -0.67 0.00 0.00 178.83 181.38 3gzb h GLN 23 N 0.75 0.97 -0.61 1.46 4.20 -0.89 -0.96 115.11 120.03 3gzb h GLN 23 Ca 0.17 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3gzb h GLN 23 Cb 0.28 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3gzb h GLN 23 CO -0.00 0.64 0.09 1.25 -0.67 0.00 0.00 178.83 180.14 3gzb h LEU 24 N 1.00 0.98 -0.90 1.46 5.85 -1.12 -1.56 115.31 121.02 3gzb h LEU 24 Ca 0.28 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3gzb h LEU 24 Cb -0.10 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 3gzb h LEU 24 CO -0.07 0.99 0.58 0.00 -0.34 0.00 0.00 178.44 179.61 3gzb h ALA 25 N 1.02 1.21 -0.46 1.25 0.00 -0.91 -0.93 119.26 120.45 3gzb h ALA 25 Ca 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3gzb h ALA 25 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gzb h ALA 25 CO 0.01 0.41 -0.05 0.28 0.00 0.00 0.00 179.25 179.90 3gzb h VAL 26 N 1.10 1.27 -0.65 0.00 2.07 -0.90 -2.86 116.25 116.27 3gzb h VAL 26 Ca 0.37 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3gzb h VAL 26 Cb 0.06 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3gzb h VAL 26 CO -0.14 0.39 0.37 0.50 0.02 0.00 0.00 177.57 178.72 3gzb h LYS 27 N 0.68 0.68 -0.42 1.57 3.64 -0.80 -0.20 116.57 121.72 3gzb h LYS 27 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3gzb h LYS 27 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3gzb h LYS 27 CO 0.03 0.45 0.00 0.98 -2.27 0.00 0.00 179.45 178.64 3gzb n TYR 28 N -4.77 0.00 0.00 1.91 9.36 -0.40 -1.79 117.16 121.48 3gzb n TYR 28 Ca 0.08 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3gzb n TYR 28 Cb 0.15 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 3gzb n TYR 28 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3gzb n ASP 30 N 0.48 0.00 -0.25 2.98 8.00 -0.09 -0.89 116.55 126.78 3gzb n ASP 30 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3gzb n ASP 30 Cb 0.05 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.20 3gzb n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gzb h ALA 31 N 0.00 0.89 0.14 2.24 0.00 -1.60 -1.64 119.26 119.30 3gzb h ALA 31 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gzb h ALA 31 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3gzb h ALA 31 CO 0.00 0.39 -0.07 1.25 0.00 0.00 0.00 179.25 180.82 3gzb h LEU 32 N 0.96 -0.16 -0.83 0.00 5.85 -1.29 -0.47 115.31 119.37 3gzb h LEU 32 Ca 0.25 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3gzb h LEU 32 Cb 0.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3gzb h LEU 32 CO -0.04 -0.03 -0.26 0.71 -0.34 0.00 0.00 178.44 178.47 3gzb h THR 33 N -0.29 0.57 -0.01 1.05 1.35 -1.80 -2.03 112.91 111.76 3gzb h THR 33 Ca -0.02 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3gzb h THR 33 Cb 0.23 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3gzb h THR 33 CO 0.03 0.26 -0.13 -1.84 -0.25 0.00 0.00 175.52 173.59 3gzb n GLU 34 N -3.34 1.30 -3.56 4.72 0.28 -0.63 -4.72 120.64 114.69 3gzb n GLU 34 Ca 0.01 -0.78 -0.25 0.00 -0.16 0.00 0.00 57.16 55.98 3gzb n GLU 34 Cb 0.49 -1.48 0.05 0.00 1.43 0.00 0.00 31.44 31.93 3gzb n GLU 34 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3gzb n HIS 35 N -0.17 -2.49 -2.70 -1.84 8.25 -0.76 -4.91 115.22 110.60 3gzb n HIS 35 Ca 0.16 0.86 -0.43 0.00 -0.26 0.00 0.00 57.72 58.04 3gzb n HIS 35 Cb 0.36 -4.52 -0.00 0.00 1.12 0.00 0.00 29.99 26.95 3gzb n HIS 35 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gzb s ASP 36 N -3.15 6.91 0.35 0.41 2.15 -0.25 -4.83 116.67 118.27 3gzb s ASP 36 Ca 0.54 -2.62 0.09 0.00 0.43 0.00 0.00 52.55 50.99 3gzb s ASP 36 Cb -0.25 -2.52 0.67 0.00 -0.30 0.00 0.00 42.92 40.51 3gzb s ASP 36 CO 0.67 -1.03 1.84 1.88 -0.17 0.00 0.00 175.17 178.35 3gzb h TYR 37 N 7.45 0.23 -1.00 -5.34 0.05 -1.91 0.81 116.97 117.27 3gzb h TYR 37 Ca 0.41 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 59.17 3gzb h TYR 37 Cb 0.87 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.50 3gzb h TYR 37 CO 1.32 0.45 0.66 -0.22 -1.05 0.00 0.00 178.16 179.32 3gzb h LYS 38 N 0.20 1.27 0.02 4.88 3.64 -1.98 -0.44 116.57 124.17 3gzb h LYS 38 Ca 0.03 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3gzb h LYS 38 Cb 0.55 -0.29 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gzb h LYS 38 CO 0.04 0.84 -0.59 1.15 -2.27 0.00 0.00 179.45 178.62 3gzb h THR 39 N 1.31 1.46 -0.83 1.00 2.02 -1.86 -3.35 112.91 112.66 3gzb h THR 39 Ca 0.38 -2.14 0.03 0.00 0.77 0.00 0.00 66.41 65.45 3gzb h THR 39 Cb -0.08 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 3gzb h THR 39 CO -0.10 0.62 0.53 0.25 0.37 0.00 0.00 175.52 177.19 3gzb h LEU 40 N -0.20 0.88 -2.14 2.58 5.85 -0.49 -1.91 115.31 119.88 3gzb h LEU 40 Ca -0.08 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3gzb h LEU 40 Cb 1.33 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gzb h LEU 40 CO 0.12 0.61 -0.07 -0.29 -0.34 0.00 0.00 178.44 178.46 3gzb h ILE 41 N 1.03 0.45 0.00 4.05 6.09 -1.22 -0.66 117.51 127.25 3gzb h ILE 41 Ca 0.33 -0.35 -0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3gzb h ILE 41 Cb 0.01 1.24 -0.00 0.00 0.47 0.00 0.00 36.82 38.54 3gzb h ILE 41 CO -0.12 0.07 -0.02 0.71 -3.07 0.00 0.00 178.15 175.72 3gzb h THR 42 N 0.00 0.09 -0.00 2.19 1.35 -1.48 -2.01 112.91 113.05 3gzb h THR 42 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3gzb h THR 42 Cb 0.23 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3gzb h THR 42 CO 0.01 0.02 -0.17 0.49 -0.25 0.00 0.00 175.52 175.62 3gzb n PHE 43 N -3.16 0.00 -4.55 4.73 3.72 -0.26 -4.69 117.46 113.25 3gzb n PHE 43 Ca -0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 3gzb n PHE 43 Cb 0.22 -0.26 -0.14 0.00 -0.94 0.00 0.00 39.48 38.36 3gzb n PHE 43 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3gzb s TYR 44 N -2.69 2.27 0.16 1.38 2.02 -0.76 -0.05 117.35 119.68 3gzb s TYR 44 Ca 0.22 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3gzb s TYR 44 Cb 0.19 -1.27 -0.00 0.00 -0.40 0.00 0.00 41.96 40.48 3gzb s TYR 44 CO 0.54 0.26 0.02 0.27 -1.57 0.00 0.00 175.55 175.06 3gzb n ASN 45 N 1.21 2.03 0.32 2.29 0.23 -1.26 -4.80 115.26 115.28 3gzb n ASN 45 Ca -0.18 -1.76 0.20 0.00 -0.53 0.00 0.00 54.58 52.31 3gzb n ASN 45 Cb 0.53 0.20 1.08 0.00 -2.08 0.00 0.00 39.78 39.50 3gzb n ASN 45 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 3gzb h ARG 46 N 0.00 0.00 -0.00 -3.83 0.11 -1.94 -2.33 114.38 106.39 3gzb h ARG 46 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 3gzb h ARG 46 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3gzb h ARG 46 CO 0.22 0.00 -0.57 -0.25 0.10 0.00 0.00 179.97 179.47 3gzb n ASP 47 N -3.33 0.99 -4.71 0.08 8.00 -1.26 -3.07 116.55 113.25 3gzb n ASP 47 Ca -0.03 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 3gzb n ASP 47 Cb 0.12 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 3gzb n ASP 47 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gzb s SER 48 N -2.80 6.64 -0.20 -2.24 0.01 -0.88 -4.73 113.70 109.49 3gzb s SER 48 Ca 0.14 2.54 -0.05 0.00 1.31 0.00 0.00 55.95 59.89 3gzb s SER 48 Cb 0.18 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 3gzb s SER 48 CO 0.68 -0.80 0.01 -0.63 0.41 0.00 0.00 173.24 172.92 3gzb s ILE 49 N 1.32 4.06 -0.30 1.44 1.01 -0.64 -0.71 121.20 127.38 3gzb s ILE 49 Ca 0.69 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.98 3gzb s ILE 49 Cb -0.42 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 3gzb s ILE 49 CO 0.31 0.42 0.12 0.12 0.00 0.00 0.00 174.94 175.91 3gzb s PHE 50 N 0.99 3.16 -0.22 3.97 2.19 0.26 -0.49 117.98 127.84 3gzb s PHE 50 Ca 0.02 -0.64 0.01 0.00 0.33 0.00 0.00 56.93 56.64 3gzb s PHE 50 Cb -0.14 -2.31 0.05 0.00 -1.31 0.00 0.00 43.02 39.31 3gzb s PHE 50 CO 0.02 -0.47 -0.06 0.12 1.83 0.00 0.00 175.22 176.66 3gzb s PHE 51 N 1.59 2.29 -0.76 10.12 5.36 0.29 -0.87 117.98 136.00 3gzb s PHE 51 Ca 0.04 -1.63 -0.22 0.00 -0.96 0.00 0.00 56.93 54.17 3gzb s PHE 51 Cb -0.17 -1.55 0.08 0.00 -0.34 0.00 0.00 43.02 41.05 3gzb s PHE 51 CO 0.05 -0.75 1.05 0.34 -1.46 0.00 0.00 175.22 174.45 3gzb s ASP 52 N 1.43 6.32 0.28 6.13 -1.08 -0.03 -1.03 116.67 128.70 3gzb s ASP 52 Ca -0.04 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 50.77 3gzb s ASP 52 Cb -0.18 -2.43 0.41 0.00 -1.46 0.00 0.00 42.92 39.27 3gzb s ASP 52 CO -0.07 -1.35 1.66 0.50 0.52 0.00 0.00 175.17 176.43 3gzb h LYS 53 N 9.39 0.14 -0.21 4.34 3.64 -1.45 0.21 116.57 132.63 3gzb h LYS 53 Ca -0.13 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3gzb h LYS 53 Cb 1.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3gzb h LYS 53 CO 1.18 0.62 -0.31 1.79 -2.27 0.00 0.00 179.45 180.47 3gzb h THR 54 N 0.11 1.28 0.00 1.00 1.35 -1.89 -2.81 112.91 111.95 3gzb h THR 54 Ca 0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3gzb h THR 54 Cb 0.94 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3gzb h THR 54 CO 0.07 0.42 -0.46 0.00 -0.25 0.00 0.00 175.52 175.31 3gzb n ALA 55 N -2.49 3.32 -3.89 6.62 0.00 -1.06 -4.97 120.51 118.06 3gzb n ALA 55 Ca -0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3gzb n ALA 55 Cb 0.43 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 3gzb n ALA 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gzb n ASN 56 N -1.58 -1.20 -4.12 0.00 5.15 -0.02 -5.01 115.26 108.49 3gzb n ASN 56 Ca 0.05 -0.93 -0.29 0.00 -0.60 0.00 0.00 54.58 52.81 3gzb n ASN 56 Cb 0.35 -3.43 -0.17 0.00 -0.53 0.00 0.00 39.78 36.00 3gzb n ASN 56 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gzb s ARG 57 N -6.40 2.47 -0.03 1.20 1.81 -0.72 -5.01 118.95 112.26 3gzb s ARG 57 Ca 0.12 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.52 3gzb s ARG 57 Cb -0.06 -1.98 -0.01 0.00 -0.45 0.00 0.00 34.95 32.45 3gzb s ARG 57 CO 0.86 0.04 -0.23 0.21 -0.68 0.00 0.00 175.30 175.51 3gzb s LYS 58 N 0.67 2.04 -0.05 3.54 2.20 -1.26 -0.85 119.74 126.04 3gzb s LYS 58 Ca -0.13 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 3gzb s LYS 58 Cb -0.16 -1.87 0.02 0.00 -1.51 0.00 0.00 37.83 34.31 3gzb s LYS 58 CO 0.03 0.43 -0.07 0.71 -0.36 0.00 0.00 175.35 176.09 3gzb s TYR 59 N -0.36 0.96 -0.11 4.03 2.02 -0.05 -5.02 117.35 118.82 3gzb s TYR 59 Ca 0.04 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3gzb s TYR 59 Cb -0.11 -0.77 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 3gzb s TYR 59 CO 0.01 -0.20 -0.16 0.99 -1.57 0.00 0.00 175.55 174.61 3gzb s THR 60 N 0.75 1.59 0.00 -0.71 2.01 -1.26 -0.58 115.64 117.45 3gzb s THR 60 Ca -0.12 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.18 3gzb s THR 60 Cb -0.14 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.92 3gzb s THR 60 CO 0.01 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3gzb n GLY 61 N 4.16 1.72 0.29 4.40 0.00 0.11 -4.56 105.19 111.31 3gzb n GLY 61 Ca -0.19 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.27 3gzb n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gzb h GLY 62 N 0.00 1.23 0.70 -0.02 0.00 -1.83 -1.21 103.07 101.94 3gzb h GLY 62 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.17 3gzb h GLY 62 CO 0.00 -0.02 0.34 -0.09 0.00 0.00 0.00 176.54 176.77 3gzb h ARG 63 N 0.57 0.62 0.00 4.80 2.43 -1.91 -1.23 114.38 119.66 3gzb h ARG 63 Ca 0.42 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.33 3gzb h ARG 63 Cb 0.56 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3gzb h ARG 63 CO -0.35 0.41 -1.08 0.74 -1.51 0.00 0.00 179.97 178.18 3gzb h PHE 64 N 0.64 0.01 -0.28 2.20 0.04 -1.62 -1.79 116.94 116.15 3gzb h PHE 64 Ca 0.27 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 3gzb h PHE 64 Cb 0.16 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3gzb h PHE 64 CO -0.08 1.01 0.12 0.82 -0.60 0.00 0.00 178.31 179.58 3gzb h ILE 65 N 0.00 1.16 -0.27 -0.55 2.04 -1.08 -1.71 117.51 117.10 3gzb h ILE 65 Ca -0.04 -0.47 -0.15 0.00 1.00 0.00 0.00 64.86 65.20 3gzb h ILE 65 Cb 1.80 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3gzb h ILE 65 CO 0.13 0.16 -0.43 0.40 0.00 0.00 0.00 178.15 178.41 3gzb h ILE 66 N 0.30 1.29 -0.93 -0.67 2.04 -1.23 -1.07 117.51 117.25 3gzb h ILE 66 Ca 0.09 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3gzb h ILE 66 Cb 0.15 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 3gzb h ILE 66 CO -0.01 0.51 0.61 -0.78 0.00 0.00 0.00 178.15 178.49 3gzb h ASP 67 N 0.54 1.05 -0.19 1.72 3.58 -1.29 0.07 116.42 121.90 3gzb h ASP 67 Ca 0.04 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3gzb h ASP 67 Cb 0.96 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 3gzb h ASP 67 CO 0.09 0.74 0.11 0.15 -2.88 0.00 0.00 179.24 177.45 3gzb h PHE 68 N 1.23 0.26 -0.68 0.28 3.57 -0.72 -2.11 116.94 118.77 3gzb h PHE 68 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3gzb h PHE 68 Cb -0.08 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3gzb h PHE 68 CO -0.01 0.23 0.43 -0.07 -2.23 0.00 0.00 178.31 176.66 3gzb h LEU 69 N 0.21 0.80 -0.65 0.59 3.38 -0.70 0.11 115.31 119.05 3gzb h LEU 69 Ca 0.07 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3gzb h LEU 69 Cb 0.05 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3gzb h LEU 69 CO -0.01 0.61 0.34 -0.33 0.09 0.00 0.00 178.44 179.14 3gzb h GLU 70 N 0.92 0.59 -0.07 1.13 4.39 -0.87 -0.68 114.58 119.99 3gzb h GLU 70 Ca 0.25 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3gzb h GLU 70 Cb -0.06 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3gzb h GLU 70 CO -0.05 0.39 -0.04 0.00 -1.16 0.00 0.00 179.01 178.15 3gzb h ARG 71 N 0.61 0.15 -0.55 2.33 3.08 -0.89 -2.66 114.38 116.45 3gzb h ARG 71 Ca 0.30 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3gzb h ARG 71 Cb 0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3gzb h ARG 71 CO -0.21 0.54 0.17 0.00 -1.07 0.00 0.00 179.97 179.40 3gzb h ALA 72 N 0.60 1.27 -0.21 0.04 0.00 -0.64 -3.09 119.26 117.23 3gzb h ALA 72 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3gzb h ALA 72 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gzb h ALA 72 CO 0.01 0.52 -0.02 0.72 0.00 0.00 0.00 179.25 180.48 3gzb n HIS 73 N -4.30 0.75 -1.65 0.00 8.25 -0.28 -5.03 115.22 112.96 3gzb n HIS 73 Ca 0.04 -1.03 -0.48 0.00 -0.26 0.00 0.00 57.72 55.99 3gzb n HIS 73 Cb 0.20 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 3gzb n HIS 73 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3gzb n GLN 74 N -0.82 1.83 -1.08 -0.41 7.27 -1.00 -1.68 117.38 121.48 3gzb n GLN 74 Ca 0.22 0.66 -0.03 0.00 0.07 0.00 0.00 57.00 57.93 3gzb n GLN 74 Cb 0.86 -2.40 -0.01 0.00 2.41 0.00 0.00 30.24 31.10 3gzb n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gzb n GLY 75 N 3.24 0.56 3.65 1.69 0.00 -1.26 -4.48 105.19 108.59 3gzb n GLY 75 Ca 0.18 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3gzb n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gzb n VAL 76 N -2.70 1.78 -0.03 1.61 3.14 -0.68 -4.41 118.33 117.05 3gzb n VAL 76 Ca -0.03 -0.45 -0.21 0.00 -2.96 0.00 0.00 64.34 60.69 3gzb n VAL 76 Cb 0.20 -1.33 -0.13 0.00 -1.06 0.00 0.00 33.84 31.51 3gzb n VAL 76 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3gzb n LEU 77 N 1.20 2.51 -3.73 6.55 4.32 0.29 -4.99 117.00 123.14 3gzb n LEU 77 Ca 0.08 0.23 -0.13 0.00 -0.02 0.00 0.00 56.01 56.16 3gzb n LEU 77 Cb 0.33 -1.07 -0.10 0.00 -1.62 0.00 0.00 43.42 40.96 3gzb n LEU 77 CO 0.62 0.76 0.08 -1.61 -1.22 0.00 0.00 177.39 176.01 3gzb s GLU 78 N -2.52 0.47 -0.15 3.23 2.02 -0.89 -5.00 118.70 115.86 3gzb s GLU 78 Ca -0.25 0.57 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 3gzb s GLU 78 Cb 0.07 0.22 0.06 0.00 0.10 0.00 0.00 34.13 34.58 3gzb s GLU 78 CO 0.72 -0.06 0.34 -0.47 0.02 0.00 0.00 175.26 175.82 3gzb s TYR 79 N 0.25 -0.53 -0.01 1.61 5.04 -1.26 -1.07 117.35 121.39 3gzb s TYR 79 Ca -0.00 1.14 -0.14 0.00 -2.44 0.00 0.00 57.07 55.62 3gzb s TYR 79 Cb -0.03 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.47 3gzb s TYR 79 CO 0.00 -0.33 0.30 -0.51 -1.34 0.00 0.00 175.55 173.67 3gzb s ASP 80 N 1.68 -0.17 -0.31 4.32 1.01 -0.48 -4.79 116.67 117.93 3gzb s ASP 80 Ca -0.07 0.04 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 3gzb s ASP 80 Cb -0.10 0.31 0.04 0.00 1.01 0.00 0.00 42.92 44.18 3gzb s ASP 80 CO -0.11 -0.46 0.04 0.12 0.21 0.00 0.00 175.17 174.97 3gzb s PHE 81 N -1.46 3.22 -0.50 4.23 5.36 -1.26 -0.96 117.98 126.60 3gzb s PHE 81 Ca -0.13 -1.54 -0.19 0.00 -0.96 0.00 0.00 56.93 54.11 3gzb s PHE 81 Cb -0.05 -2.18 0.06 0.00 -0.34 0.00 0.00 43.02 40.50 3gzb s PHE 81 CO 0.03 -0.73 0.63 -0.80 -1.46 0.00 0.00 175.22 172.89 3gzb s ASN 82 N 1.35 6.23 -0.13 6.13 0.02 0.08 -4.95 114.94 123.68 3gzb s ASN 82 Ca -0.02 -0.87 -0.29 0.00 -1.02 0.00 0.00 52.86 50.65 3gzb s ASN 82 Cb -0.19 -2.29 -0.02 0.00 0.02 0.00 0.00 41.25 38.77 3gzb s ASN 82 CO 0.00 -0.89 1.18 -0.63 0.02 0.00 0.00 177.10 176.79 3gzb s ILE 83 N 2.65 4.39 -0.12 0.60 1.01 -1.26 -1.54 121.20 126.92 3gzb s ILE 83 Ca 0.16 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.50 3gzb s ILE 83 Cb -0.19 -4.09 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 3gzb s ILE 83 CO 0.12 -0.08 0.35 -0.62 0.00 0.00 0.00 174.94 174.71 3gzb n GLU 84 N 5.93 0.71 -3.94 2.79 1.02 0.94 -4.97 120.64 123.12 3gzb n GLU 84 Ca 0.12 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.40 3gzb n GLU 84 Cb 0.46 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3gzb n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3gzb s HIS 85 N -2.56 0.33 0.00 -0.32 5.04 -0.84 -5.02 115.29 111.93 3gzb s HIS 85 Ca -0.18 -0.77 0.00 0.00 -1.54 0.00 0.00 55.06 52.56 3gzb s HIS 85 Cb 0.07 0.42 0.00 0.00 0.04 0.00 0.00 32.58 33.11 3gzb s HIS 85 CO 0.77 -1.23 0.00 2.48 -2.34 0.00 0.00 174.74 174.41 3gzb n TYR 87 N -0.48 0.00 -3.85 3.88 4.11 -0.57 -0.48 117.16 119.78 3gzb n TYR 87 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.76 3gzb n TYR 87 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.86 3gzb n TYR 87 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3gzb s ASN 88 N 0.00 0.02 -0.33 9.48 4.22 -1.26 -0.66 114.94 126.41 3gzb s ASN 88 Ca 0.00 -0.30 0.02 0.00 -2.14 0.00 0.00 52.86 50.44 3gzb s ASN 88 Cb 0.00 0.26 0.10 0.00 1.28 0.00 0.00 41.25 42.90 3gzb s ASN 88 CO 0.00 -0.50 0.07 0.00 -2.04 0.00 0.00 177.10 174.64 3gzb s ALA 89 N -2.16 2.32 0.00 3.54 0.00 -0.12 -5.01 121.76 120.33 3gzb s ALA 89 Ca -0.08 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.69 3gzb s ALA 89 Cb -0.03 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3gzb s ALA 89 CO -0.02 -1.69 0.00 0.41 0.00 0.00 0.00 175.76 174.46 3gzb n GLY 90 N 4.48 3.42 0.28 0.00 0.00 -1.26 -1.65 105.19 110.46 3gzb n GLY 90 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3gzb n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gzb n SER 91 N 4.28 0.85 -4.54 1.61 7.64 -1.26 -4.69 113.62 117.51 3gzb n SER 91 Ca 0.00 -1.59 -0.41 0.00 1.01 0.00 0.00 58.87 57.88 3gzb n SER 91 Cb 0.00 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 3gzb n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3gzb s LEU 92 N -1.55 4.46 -0.15 -3.43 2.96 -0.66 -1.17 118.68 119.15 3gzb s LEU 92 Ca 0.29 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3gzb s LEU 92 Cb 0.15 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3gzb s LEU 92 CO 0.23 -0.45 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.07 3gzb s VAL 93 N 2.22 3.76 0.51 1.68 1.01 0.03 -0.95 120.40 128.65 3gzb s VAL 93 Ca 0.15 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3gzb s VAL 93 Cb -0.16 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3gzb s VAL 93 CO 0.13 0.50 0.19 -0.69 0.00 0.00 0.00 175.10 175.23 3gzb s VAL 94 N 0.33 1.54 -0.29 2.92 1.01 0.17 -0.78 120.40 125.29 3gzb s VAL 94 Ca -0.05 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 3gzb s VAL 94 Cb -0.14 -2.29 0.16 0.00 0.00 0.00 0.00 36.38 34.10 3gzb s VAL 94 CO 0.03 0.00 1.02 -0.63 0.00 0.00 0.00 175.10 175.52 3gzb s ILE 96 N -2.79 -0.10 0.00 2.22 1.01 0.37 -1.51 121.20 120.40 3gzb s ILE 96 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3gzb s ILE 96 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3gzb s ILE 96 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3gzb n GLY 97 N 3.88 1.76 3.00 6.18 0.00 -0.24 -0.04 105.19 119.73 3gzb n GLY 97 Ca -0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3gzb n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gzb s ASN 98 N 2.00 -0.18 -0.22 1.61 3.84 -0.59 -1.08 114.94 120.33 3gzb s ASN 98 Ca 0.00 0.44 -0.17 0.00 0.21 0.00 0.00 52.86 53.34 3gzb s ASN 98 Cb 0.00 0.33 -0.03 0.00 -0.55 0.00 0.00 41.25 41.00 3gzb s ASN 98 CO 0.00 -0.16 0.48 -0.31 -2.79 0.00 0.00 177.10 174.31 3gzb s TYR 99 N 1.27 3.34 -0.27 0.43 2.02 -0.31 -0.74 117.35 123.11 3gzb s TYR 99 Ca -0.09 0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 3gzb s TYR 99 Cb -0.11 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 3gzb s TYR 99 CO -0.08 -0.12 0.16 -1.58 -1.57 0.00 0.00 175.55 172.36 3gzb s HIS 100 N 1.72 3.20 -0.08 2.71 5.65 -0.13 -0.17 115.29 128.19 3gzb s HIS 100 Ca 0.22 0.01 0.01 0.00 0.25 0.00 0.00 55.06 55.55 3gzb s HIS 100 Cb -0.15 -2.33 0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3gzb s HIS 100 CO 0.09 -0.17 -0.09 0.12 -0.65 0.00 0.00 174.74 174.04 3gzb s PHE 101 N 1.61 1.39 -0.15 3.88 5.36 -0.45 -1.38 117.98 128.24 3gzb s PHE 101 Ca 0.07 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 3gzb s PHE 101 Cb -0.15 -1.09 0.02 0.00 -0.34 0.00 0.00 43.02 41.45 3gzb s PHE 101 CO 0.08 -0.36 -0.17 0.21 -1.46 0.00 0.00 175.22 173.52 3gzb s LYS 102 N 1.12 2.53 -0.01 10.12 2.20 -0.24 -0.95 119.74 134.51 3gzb s LYS 102 Ca -0.06 -0.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.66 3gzb s LYS 102 Cb -0.14 -2.21 0.08 0.00 -1.51 0.00 0.00 37.83 34.05 3gzb s LYS 102 CO -0.02 -0.17 1.04 0.41 -0.36 0.00 0.00 175.35 176.26 3gzb n GLY 103 N 4.53 0.31 3.64 5.54 0.00 -0.53 -0.55 105.19 118.13 3gzb n GLY 103 Ca -0.19 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 3gzb n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gzb n PRO 104 N -0.75 1.74 0.00 1.61 -0.02 -1.26 -0.84 135.00 135.47 3gzb n PRO 104 Ca 0.03 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 3gzb n PRO 104 Cb 0.48 -2.13 0.24 0.00 -0.02 0.00 0.00 33.50 32.07 3gzb n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gzb n GLY 105 N 1.42 -0.92 0.32 -1.23 0.00 -0.08 -4.56 105.19 100.14 3gzb n GLY 105 Ca 0.09 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 3gzb n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gzb h GLU 106 N 0.57 -0.21 0.00 1.61 3.07 -1.80 0.48 114.58 118.30 3gzb h GLU 106 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3gzb h GLU 106 Cb 0.52 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3gzb h GLU 106 CO 0.00 -0.14 0.00 0.00 -1.40 0.00 0.00 179.01 177.47 3gzb n GLN 107 N -5.41 0.21 -0.25 2.33 10.64 -1.26 -2.42 117.38 121.22 3gzb n GLN 107 Ca 0.02 0.40 0.08 0.00 -1.83 0.00 0.00 57.00 55.67 3gzb n GLN 107 Cb 0.33 -1.87 0.22 0.00 -0.86 0.00 0.00 30.24 28.06 3gzb n GLN 107 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3gzb n PHE 108 N -2.26 0.66 -0.83 2.61 3.01 0.15 -4.90 117.46 115.90 3gzb n PHE 108 Ca 0.03 -0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.16 3gzb n PHE 108 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3gzb n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gzb n GLY 109 N 1.29 0.49 2.52 1.37 0.00 -1.01 -5.00 105.19 104.85 3gzb n GLY 109 Ca 0.17 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 3gzb n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gzb n LYS 110 N -2.83 2.08 -1.65 1.61 4.76 -0.29 -5.01 118.16 116.83 3gzb n LYS 110 Ca 0.00 -4.15 -0.43 0.00 -2.87 0.00 0.00 58.31 50.86 3gzb n LYS 110 Cb 0.00 -1.94 -0.01 0.00 -1.84 0.00 0.00 35.03 31.24 3gzb n LYS 110 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3gzb n PRO 111 N 0.31 1.72 -0.90 1.97 -0.04 -1.26 -2.47 135.00 134.33 3gzb n PRO 111 Ca 0.28 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3gzb n PRO 111 Cb 0.50 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3gzb n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gzb n GLY 112 N 1.00 0.68 3.59 0.55 0.00 -1.26 -4.90 105.19 104.85 3gzb n GLY 112 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3gzb n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gzb s LYS 113 N -0.30 2.00 -0.22 1.61 1.02 -1.03 -5.02 119.74 117.81 3gzb s LYS 113 Ca 0.00 -1.73 -0.08 0.00 0.02 0.00 0.00 55.97 54.18 3gzb s LYS 113 Cb 0.00 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 3gzb s LYS 113 CO 0.00 0.20 0.08 0.42 -0.92 0.00 0.00 175.35 175.14 3gzb s ILE 114 N -2.50 4.70 0.26 2.17 -1.09 -1.26 -0.90 121.20 122.58 3gzb s ILE 114 Ca 0.33 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 3gzb s ILE 114 Cb -0.02 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 3gzb s ILE 114 CO 0.18 0.39 0.42 0.27 -1.23 0.00 0.00 174.94 174.97 3gzb s ILE 115 N 0.97 5.20 -0.19 2.92 -5.25 -0.02 -4.90 121.20 119.92 3gzb s ILE 115 Ca 0.04 -0.66 -0.04 0.00 -0.99 0.00 0.00 60.65 59.01 3gzb s ILE 115 Cb -0.14 -3.82 0.09 0.00 2.95 0.00 0.00 42.46 41.54 3gzb s ILE 115 CO 0.03 -0.35 0.23 -0.62 -1.79 0.00 0.00 174.94 172.44 3gzb s ASP 116 N -3.76 1.18 0.14 4.36 -1.08 -1.26 -1.46 116.67 114.79 3gzb s ASP 116 Ca 0.37 -0.10 0.07 0.00 -0.52 0.00 0.00 52.55 52.37 3gzb s ASP 116 Cb -0.10 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.78 3gzb s ASP 116 CO 0.31 -0.31 -0.15 0.68 0.52 0.00 0.00 175.17 176.22 3gzb s VAL 117 N 2.35 1.48 -0.27 1.11 -7.23 -0.13 -4.93 120.40 112.78 3gzb s VAL 117 Ca 0.07 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3gzb s VAL 117 Cb -0.15 -1.63 0.09 0.00 0.56 0.00 0.00 36.38 35.25 3gzb s VAL 117 CO -0.12 -0.39 0.10 0.00 -0.31 0.00 0.00 175.10 174.38 3gzb s ALA 118 N -2.13 0.96 -0.25 1.32 0.00 -1.26 -1.34 121.76 119.07 3gzb s ALA 118 Ca 0.11 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 3gzb s ALA 118 Cb -0.05 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 3gzb s ALA 118 CO 0.04 -1.54 0.00 0.42 0.00 0.00 0.00 175.76 174.68 3gzb s ILE 119 N 1.91 3.59 0.44 0.00 1.01 0.77 -4.89 121.20 124.02 3gzb s ILE 119 Ca 0.07 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 3gzb s ILE 119 Cb -0.17 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.48 3gzb s ILE 119 CO -0.26 0.28 1.26 -2.65 0.00 0.00 0.00 174.94 173.57 3gzb n PRO 120 N 4.81 1.86 -3.44 2.79 -0.02 -1.26 -1.16 135.00 138.58 3gzb n PRO 120 Ca -0.17 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3gzb n PRO 120 Cb 0.50 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3gzb n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gzb s ALA 121 N -1.22 -1.64 -0.07 3.55 0.00 -0.24 -1.27 121.76 120.86 3gzb s ALA 121 Ca 0.62 0.64 0.04 0.00 0.00 0.00 0.00 51.96 53.27 3gzb s ALA 121 Cb -0.50 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3gzb s ALA 121 CO 0.57 -0.72 -0.20 0.08 0.00 0.00 0.00 175.76 175.49 3gzb s VAL 122 N -3.39 1.73 -0.09 0.00 1.01 -0.38 -1.08 120.40 118.20 3gzb s VAL 122 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3gzb s VAL 122 Cb -0.01 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3gzb s VAL 122 CO -0.10 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.41 3gzb s THR 123 N 0.22 1.64 -0.00 3.92 2.01 -1.26 -0.64 115.64 121.53 3gzb s THR 123 Ca -0.11 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.19 3gzb s THR 123 Cb -0.15 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3gzb s THR 123 CO 0.05 0.47 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.30 3gzb s SER 124 N 0.56 3.50 -0.11 3.53 1.04 -0.29 -4.47 113.70 117.47 3gzb s SER 124 Ca -0.15 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 55.90 3gzb s SER 124 Cb -0.17 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.43 3gzb s SER 124 CO 0.05 0.30 -0.20 -0.76 0.98 0.00 0.00 173.24 173.62 3gzb s LEU 125 N -0.93 1.94 -0.30 2.42 1.43 0.04 -0.92 118.68 122.35 3gzb s LEU 125 Ca 0.12 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 3gzb s LEU 125 Cb -0.10 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3gzb s LEU 125 CO 0.01 0.08 0.34 -0.75 0.23 0.00 0.00 176.35 176.26 3gzb s LYS 126 N 0.67 3.82 0.00 1.70 2.47 0.00 -0.79 119.74 127.61 3gzb s LYS 126 Ca -0.12 -0.21 -0.00 0.00 -1.56 0.00 0.00 55.97 54.07 3gzb s LYS 126 Cb -0.16 -3.72 -0.04 0.00 -1.46 0.00 0.00 37.83 32.45 3gzb s LYS 126 CO 0.03 -0.36 0.10 -0.51 0.16 0.00 0.00 175.35 174.77 3gzb s LEU 127 N 1.99 3.99 0.38 5.43 1.43 -0.31 -0.65 118.68 130.95 3gzb s LEU 127 Ca 0.12 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 3gzb s LEU 127 Cb -0.16 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3gzb s LEU 127 CO 0.11 0.26 0.44 -0.62 0.23 0.00 0.00 176.35 176.76 3gzb s ASP 128 N -1.86 5.48 0.00 2.29 -1.08 0.65 -4.81 116.67 117.34 3gzb s ASP 128 Ca 0.25 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 3gzb s ASP 128 Cb -0.12 -0.82 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 3gzb s ASP 128 CO 0.16 -0.57 0.00 -0.11 0.52 0.00 0.00 175.17 175.16 3gzb n LEU 130 N -1.62 0.00 -0.85 -1.34 7.94 -1.26 -0.64 117.00 119.23 3gzb n LEU 130 Ca 0.03 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.05 3gzb n LEU 130 Cb 0.60 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.79 3gzb n LEU 130 CO 0.41 0.00 0.71 0.59 -1.11 0.00 0.00 177.39 178.00 3gzb n ASN 131 N 0.00 2.61 -3.73 1.96 3.02 -1.26 -4.97 115.26 112.88 3gzb n ASN 131 Ca 0.00 -1.85 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 3gzb n ASN 131 Cb 0.00 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3gzb n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gzb n ARG 132 N 1.01 -5.01 -4.30 3.52 1.74 0.18 -4.99 116.66 108.81 3gzb n ARG 132 Ca 0.16 0.62 -0.22 0.00 -0.77 0.00 0.00 57.85 57.65 3gzb n ARG 132 Cb 0.52 -5.22 -0.12 0.00 -1.02 0.00 0.00 32.46 26.63 3gzb n ARG 132 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gzb s ARG 133 N -6.07 1.18 -0.35 5.56 0.52 -0.78 -4.30 118.95 114.70 3gzb s ARG 133 Ca 0.09 -1.30 -0.18 0.00 -0.52 0.00 0.00 55.73 53.82 3gzb s ARG 133 Cb -0.05 -1.25 -0.00 0.00 0.52 0.00 0.00 34.95 34.17 3gzb s ARG 133 CO 0.81 0.26 0.52 0.08 0.02 0.00 0.00 175.30 177.00 3gzb s VAL 134 N -1.82 5.01 0.02 3.52 1.01 0.93 -0.25 120.40 128.80 3gzb s VAL 134 Ca 0.12 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3gzb s VAL 134 Cb -0.07 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 3gzb s VAL 134 CO 0.05 -0.23 0.90 0.71 0.00 0.00 0.00 175.10 176.53 3gzb h THR 135 N 5.62 1.19 -2.86 3.92 1.35 -1.17 -3.43 112.91 117.54 3gzb h THR 135 Ca -0.28 -2.92 -0.18 0.00 -0.55 0.00 0.00 66.41 62.48 3gzb h THR 135 Cb 1.12 2.67 -0.30 0.00 -1.73 0.00 0.00 68.15 69.92 3gzb h THR 135 CO 0.78 0.76 -0.46 -0.70 -0.25 0.00 0.00 175.52 175.66 3gzb s GLU 136 N -2.63 0.23 -0.23 4.72 2.12 -1.16 -1.62 118.70 120.12 3gzb s GLU 136 Ca -0.05 0.69 0.01 0.00 0.36 0.00 0.00 54.97 55.97 3gzb s GLU 136 Cb 0.08 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.47 3gzb s GLU 136 CO 0.83 -0.21 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.65 3gzb s HIS 137 N 1.76 3.06 -0.16 5.30 5.65 0.36 -0.82 115.29 130.43 3gzb s HIS 137 Ca -0.05 -1.85 -0.00 0.00 0.25 0.00 0.00 55.06 53.40 3gzb s HIS 137 Cb -0.11 -1.98 -0.00 0.00 -1.18 0.00 0.00 32.58 29.31 3gzb s HIS 137 CO -0.10 -0.80 -0.13 0.08 -0.65 0.00 0.00 174.74 173.13 3gzb s VAL 138 N 1.24 2.81 -0.13 0.89 1.01 -0.10 -0.54 120.40 125.57 3gzb s VAL 138 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3gzb s VAL 138 Cb -0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3gzb s VAL 138 CO -0.07 0.50 0.01 -1.81 0.00 0.00 0.00 175.10 173.73 3gzb s ASP 139 N 0.85 5.21 -0.36 3.32 1.01 -0.20 -1.13 116.67 125.38 3gzb s ASP 139 Ca -0.04 0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.31 3gzb s ASP 139 Cb -0.15 -1.69 0.10 0.00 1.01 0.00 0.00 42.92 42.20 3gzb s ASP 139 CO -0.00 0.27 0.08 -0.76 0.21 0.00 0.00 175.17 174.97 3gzb s LEU 140 N -0.24 4.37 -0.09 1.23 1.43 0.19 -1.27 118.68 124.30 3gzb s LEU 140 Ca 0.06 -2.21 -0.00 0.00 -1.03 0.00 0.00 54.13 50.94 3gzb s LEU 140 Cb -0.12 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3gzb s LEU 140 CO 0.02 -0.36 -0.06 -0.63 0.23 0.00 0.00 176.35 175.55 3gzb s ILE 141 N 0.83 3.77 -1.30 -0.59 -1.09 -1.26 -1.25 121.20 120.31 3gzb s ILE 141 Ca 0.12 -0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 3gzb s ILE 141 Cb -0.20 -2.57 0.12 0.00 -1.58 0.00 0.00 42.46 38.23 3gzb s ILE 141 CO -0.09 0.58 1.76 -0.67 -1.23 0.00 0.00 174.94 175.29 3gzb n ASP 142 N 2.52 4.88 0.25 3.58 2.03 -0.40 -4.82 116.55 124.60 3gzb n ASP 142 Ca -0.18 -2.97 0.11 0.00 0.52 0.00 0.00 54.79 52.27 3gzb n ASP 142 Cb 0.53 -1.61 0.68 0.00 -0.72 0.00 0.00 41.12 40.00 3gzb n ASP 142 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 143 N 6.72 0.00 -0.63 -0.67 0.05 -1.96 -2.76 116.97 117.73 3gzb h TYR 143 Ca 0.42 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.14 3gzb h TYR 143 Cb 0.77 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 3gzb h TYR 143 CO 1.29 0.13 0.17 0.37 -1.05 0.00 0.00 178.16 179.07 3gzb h GLN 144 N 0.00 0.99 -1.68 4.88 5.75 -2.00 -0.24 115.11 122.81 3gzb h GLN 144 Ca -0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3gzb h GLN 144 Cb 0.31 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3gzb h GLN 144 CO 0.02 0.89 0.00 2.41 -2.65 0.00 0.00 178.83 179.50 3gzb n THR 145 N -4.34 0.00 0.00 2.39 -1.04 -1.04 -0.78 114.28 109.47 3gzb n THR 145 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3gzb n THR 145 Cb 0.23 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3gzb n THR 145 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3gzb n SER 147 N 0.92 0.00 -0.33 8.00 7.64 -0.10 -1.54 113.62 128.21 3gzb n SER 147 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 3gzb n SER 147 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 3gzb n SER 147 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3gzb h ASP 148 N 0.00 1.01 -0.04 6.43 3.32 -1.22 -0.97 116.42 124.95 3gzb h ASP 148 Ca 0.00 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.85 3gzb h ASP 148 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3gzb h ASP 148 CO 0.00 0.72 -0.61 1.56 -1.72 0.00 0.00 179.24 179.19 3gzb h GLN 149 N 1.19 0.65 0.00 3.56 4.20 -1.55 -3.00 115.11 120.16 3gzb h GLN 149 Ca 0.34 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 3gzb h GLN 149 Cb -0.10 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3gzb h GLN 149 CO -0.08 1.06 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.72 3gzb h LEU 150 N 0.48 0.00 -3.12 1.46 3.38 -1.74 -3.29 115.31 112.48 3gzb h LEU 150 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gzb h LEU 150 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gzb h LEU 150 CO 0.12 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3gzb n ALA 151 N -2.40 1.51 0.00 1.53 0.00 -0.40 -5.09 120.51 115.66 3gzb n ALA 151 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gzb n ALA 151 Cb 0.41 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54